Molecule ID: mol11536
SMILES: CC(C)C(CC(=O)O)(CC(=O)O)C(C)C
InChI: InChI=1S/C11H20O4/c1-7(2)11(8(3)4,5-9(12)13)6-10(14)15/h7-8H,5-6H2,1-4H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | AttenGpKa training set | 0 » -1 |
| 7.68 | IUPAC digitized pKa | -1 » -2 |
| 7.68 | AttenGpKa training set | -1 » -2 |